SCHEMBL13859251

SCHEMBL13859251

COc1ccc(NC(=O)C(C#N)=CC2CC2)cc1Nc1ncc(F)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.49
▸ MAPK8 P45983 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ CAMKK2 Q96RR4 2/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ PRKCA P17252 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ ITK Q08881 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ KDR P35968 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13859249 1.00 EGFR (0.49) EGFRMAPK8GSK3BCAMKK2PIK3CG
SCHEMBL16194697 0.89 EGFR (0.51) EGFRMAPK8GSK3BITK
SCHEMBL16194698 0.89 EGFR (0.51) EGFRMAPK8GSK3BITK
SCHEMBL13859519 0.88 EGFR (0.58) EGFRMAPTKDM4EMEN1KMT2A
SCHEMBL13859520 0.88 EGFR (0.58) EGFRMAPTKDM4EMEN1KMT2A
SCHEMBL13859313 0.87 EGFR (0.47) EGFRPRKCAJAK3MAPTKDM4E
SCHEMBL13859312 0.87 EGFR (0.47) EGFRPRKCAJAK3MAPTKDM4E
SCHEMBL13859562 0.85 JAK3 (0.49) EGFRJAK3ITKCDK1KDR
SCHEMBL13859563 0.85 JAK3 (0.49) EGFRJAK3ITKCDK1KDR
SCHEMBL13859351 0.85 PRKCA (0.57) EGFRMAPK8GSK3BCAMKK2PIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580427-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-28 — — US disclosed
US-20140323464-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-30 — — US disclosed
EP-2710007-A2 KINASE INHIBITORS The Regents of the University of California (US) 2014-03-26 — — EP disclosed
WO-2012158843-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140323464-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 EGFR 432/4885MAPK8 91/4885GSK3B 393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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